Cas no 573675-99-7 ([3-Amino-4-(ethoxycarbonyl)phenyl]boronic acid)
![[3-Amino-4-(ethoxycarbonyl)phenyl]boronic acid structure](https://ossimg.kuujia.com/scimg/574000/573675-99-7x500.png)
573675-99-7 structure
Product Name:[3-Amino-4-(ethoxycarbonyl)phenyl]boronic acid
CAS No:573675-99-7
MF:C9H12BNO4
MW:209.006882667542
CID:946893
PubChem ID:22030204
Update Time:2025-04-19
[3-Amino-4-(ethoxycarbonyl)phenyl]boronic acid Chemical and Physical Properties
Names and Identifiers
-
- (3-amino-4-ethoxycarbonylphenyl)boronic acid
- Benzoic acid, 2-amino-4-borono-, 1-ethyl ester (9CI)
- [3-Amino-4-(ethoxycarbonyl)phenyl]boronic acid
- 573675-99-7
- SCHEMBL4975437
- (3-Amino-4-(ethoxycarbonyl)phenyl)boronic acid
- DTXSID70621781
-
- Inchi： 1S/C9H12BNO4/c1-2-15-9(12)7-4-3-6(10(13)14)5-8(7)11/h3-5,13-14H,2,11H2,1H3
- InChI Key： XAPSRVHRVRZIGP-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC(B(O)O)=CC=1N)=O
Computed Properties
- Exact Mass: 209.0859380g/mol
- Monoisotopic Mass: 209.0859380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 92.8?2
Experimental Properties
- PSA: 92.78000
- LogP: -0.29350
[3-Amino-4-(ethoxycarbonyl)phenyl]boronic acid Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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